Identification

PhytoHub ID
PHUB000659
Name
Galangin 3,5,7-trimethyl ether
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
312.321
Monoisotopic Mass
312.099773615
Chemical Formula
C18H16O5
IUPAC Name
3,5,7-trimethoxy-2-phenyl-4H-chromen-4-one
InChI Key
CBTHKWVPSIGKMI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3
SMILES
COC1=CC(OC)=C2C(=O)C(OC)=C(OC2=C1)C1=CC=CC=C1
Structure

Calculated Properties

Solubility (ALOGPS)
2.85e-02 g/l
LogS (ALOGPS)
-4.04
LogP (ALOGPS)
3.25
Hydrogen Acceptors
5
Hydrogen Donors
0
Rotatable Bond Count
4
Polar Surface Area
53.99
Refractivity
86.61620000000003
Polarizability
32.65592290285524
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.402812604808886
pKa (strongest acidic)
Not Available
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavonols

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
O-methylated flavonoids
Direct Parent Name
7-O-methylated flavonoids
Alternative Parent Names
["3-O-methylated flavonoids", "3-methoxychromones", "5-O-methylated flavonoids", "Alkyl aryl ethers", "Anisoles", "Benzene and substituted derivatives", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous esters"]
External Descriptor Annotations
["Flavones and Flavonols", "flavonols", "trimethoxyflavone"]
Substituent Names
["1-benzopyran", "3-methoxychromone", "3-methoxyflavonoid-skeleton", "5-methoxyflavonoid-skeleton", "7-methoxyflavonoid-skeleton", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Pyran", "Pyranone", "Vinylogous ester"]

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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